{"action":"created","issue":{"url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/43","repository_url":"https://api.github.com/repos/SebWouters/CheMPS2","labels_url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/43/labels{/name}","comments_url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/43/comments","events_url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/43/events","html_url":"https://github.com/SebWouters/CheMPS2/issues/43","id":163058392,"number":43,"title":"CASPT2::solve signature trouble","user":{"login":"loriab","id":2314730,"avatar_url":"https://avatars.githubusercontent.com/u/2314730?v=3","gravatar_id":"","url":"https://api.github.com/users/loriab","html_url":"https://github.com/loriab","followers_url":"https://api.github.com/users/loriab/followers","following_url":"https://api.github.com/users/loriab/following{/other_user}","gists_url":"https://api.github.com/users/loriab/gists{/gist_id}","starred_url":"https://api.github.com/users/loriab/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/loriab/subscriptions","organizations_url":"https://api.github.com/users/loriab/orgs","repos_url":"https://api.github.com/users/loriab/repos","events_url":"https://api.github.com/users/loriab/events{/privacy}","received_events_url":"https://api.github.com/users/loriab/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":2,"created_at":"2016-06-30T00:43:55Z","updated_at":"2016-06-30T12:16:03Z","closed_at":null,"body":"So Psi4+CheMPS2 is broken again with `1.7.1`. It seems to be down to the `CASPT2::solve` function signature, which did change from `1.7`: https://github.com/SebWouters/CheMPS2/compare/v1.7...v1.7.1 As shown below, when I do a psi4 build where CMake goes off and grabs the `1.7.1` tag, compiles and installs it locally, then psi4 tries linking against the static, it complains about the `solve` sig, then when I fix it to add the default second arg, it complains anyway. Some preliminary facts:\r\n\r\n* Psi4 + internally built CheMPS2 `1.7.1` static --> FAIL\r\n* Psi4 + internally built CheMPS2 `1.7` static --> PASS\r\n* Psi4 + externally built CheMPS2 `1.7.1` _dynamic_ --> PASS ( I checked the output, it has the 1.7.1 printing)\r\n\r\nAny ideas? @ryanmrichard, any reason a static library should be less able to handle signatures with default args? (here's the doxygen for you: http://sebwouters.github.io/CheMPS2/doxygen/classCheMPS2_1_1CASPT2.html#acda216c42c5245d79ae398ec59f2253f) I've looked at the link lines and I don't see anywhere an old 1.7 header could be lurking. I'm at a loss, so seeking ideas.\r\n\r\n1 arg\r\n-------\r\n\r\nexisting code\r\n```\r\n>>> cat ../src/bin/dmrg/dmrgscf.cc | grep solve\r\n            E_CASPT2 = myCASPT2->solve( dmrg_imag_shift );\r\n```\r\n\r\ncompile fails in Internal build against `libchemps2.a`:\r\n\r\n```\r\n[ 98%] Linking CXX executable ../../../bin/psi4\r\n../../../lib/libdmrg.a(dmrgscf.cc.o): In function `psi::dmrg::dmrg(boost::shared_ptr<psi::Wavefunction>, psi::Options&)':\r\ndmrgscf.cc:(.text+0xa1d9): undefined reference to `CheMPS2::CASPT2::solve(double) const'\r\nmake[2]: *** [bin/psi4] Error 1\r\nmake[1]: *** [src/bin/psi4/CMakeFiles/psi4.dir/all] Error 2\r\nmake: *** [all] Error 2\r\n```\r\ntwo arguments in lib sig\r\n```\r\n>>> nm interfaces/chemps2/install/lib/libchemps2.a --demangle | grep solve\r\n0000000000000000 T CheMPS2::CASPT2::solve(double, bool) const\r\n0000000000000000 T CheMPS2::CASSCF::solve(int, int, int, CheMPS2::ConvergenceScheme*, int, CheMPS2::DMRGSCFoptions*)\r\n                 U CheMPS2::CASPT2::solve(double, bool) const\r\n0000000000000000 T CheMPS2::DMRG::solve_site(int, double, double, int, bool, bool, bool)\r\n0000000000000000 T CheMPS2::DMRG::solve_fock(int, int, double, double)\r\n0000000000000000 T CheMPS2::DMRG::solve_fock_update_helper(int, int, int, bool, CheMPS2::TensorT**, CheMPS2::TensorT**, CheMPS2::SyBookkeeper*, CheMPS2::SyBookkeeper*, CheMPS2::TensorO**, CheMPS2::TensorL**, CheMPS2::TensorL**)\r\n```\r\n\r\n2 arg\r\n------\r\nso I try to supply the second (supposedly default) arg\r\n```\r\n>>> cat ../src/bin/dmrg/dmrgscf.cc | grep solve\r\n            E_CASPT2 = myCASPT2->solve( dmrg_imag_shift, false );\r\n```\r\n\r\ncompile fails in Internal build against `libchemps2.a`:\r\n```\r\n/shortened/psi4/src/bin/dmrg/dmrgscf.cc(1060): error #140: too many arguments in function call\r\n              E_CASPT2 = myCASPT2->solve( dmrg_imag_shift, false );\r\n                                                           ^\r\n\r\ncompilation aborted for /shortened/psi4/src/bin/dmrg/dmrgscf.cc (code 2)\r\nmake[2]: *** [src/bin/dmrg/CMakeFiles/dmrg.dir/dmrgscf.cc.o] Error 2\r\nmake[1]: *** [src/bin/dmrg/CMakeFiles/dmrg.dir/all] Error 2\r\nmake: *** [all] Error 2\r\n```\r\n\r\nsignature _shows_ 2 args\r\n```\r\n>>> cat interfaces/chemps2/install/include/chemps2/CASPT2.h | grep solve\r\n         double solve( const double imag_shift, const bool CONJUGATE_GRADIENT = false ) const;\r\n```"},"comment":{"url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/comments/229641144","html_url":"https://github.com/SebWouters/CheMPS2/issues/43#issuecomment-229641144","issue_url":"https://api.github.com/repos/SebWouters/CheMPS2/issues/43","id":229641144,"user":{"login":"wpoely86","id":424570,"avatar_url":"https://avatars.githubusercontent.com/u/424570?v=3","gravatar_id":"","url":"https://api.github.com/users/wpoely86","html_url":"https://github.com/wpoely86","followers_url":"https://api.github.com/users/wpoely86/followers","following_url":"https://api.github.com/users/wpoely86/following{/other_user}","gists_url":"https://api.github.com/users/wpoely86/gists{/gist_id}","starred_url":"https://api.github.com/users/wpoely86/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/wpoely86/subscriptions","organizations_url":"https://api.github.com/users/wpoely86/orgs","repos_url":"https://api.github.com/users/wpoely86/repos","events_url":"https://api.github.com/users/wpoely86/events{/privacy}","received_events_url":"https://api.github.com/users/wpoely86/received_events","type":"User","site_admin":false},"created_at":"2016-06-30T12:16:03Z","updated_at":"2016-06-30T12:16:03Z","body":"Did you start from a clean build directory?"}}
{"actor":{"display_login":"wpoely86"}}